N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide

C17H20N4O4 — CID 108956543

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)no1
InChIInChI=1S/C17H20N4O4/c1-12-10-15(20-25-12)19-17(23)11-16(22)18-13-4-2-3-5-14(13)21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyKFXGUVFQWJOFSI-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.79
Rot. Bonds5

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide (PubChem CID 108956543) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
PubChem CID108956543
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)no1
InChIInChI=1S/C17H20N4O4/c1-12-10-15(20-25-12)19-17(23)11-16(22)18-13-4-2-3-5-14(13)21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyKFXGUVFQWJOFSI-UHFFFAOYSA-N
XLogP1.79
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109200634
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108948326

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide (CID 108956543) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide is Cc1cc(NC(=O)CC(=O)Nc2ccccc2N2CCOCC2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide?
The InChIKey is KFXGUVFQWJOFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12-10-15(20-25-12)19-17(23)11-16(22)18-13-4-2-3-5-14(13)21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide has a molecular weight of 344.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide is sourced from PubChem (CID 108956543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).